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Ethyl 9,12-octadecadienoate
PHCD compound ID : 2981
Chemical Names :
Ethyl(9E,12E)-9,12-octadecadienoate , 9,12-Octadecadienoic acid,ethyl ester , Ethyl 9,12-octadecadienoate
Molecular Formula : C20H36O2
Molecular Weight : 308.27153
More Details :
Names & Synonyms: ethyl (9E,12E)-octadeca-9,12-dienoate , (9E,12E)-octadeca-9,12-dienoic acid ethyl ester
Smiles: CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC
InChi : InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8+,12-11+
InChi Key : InChIKey=FMMOOAYVCKXGMF-MVKOLZDDSA-N
PubChem ID : 5365672
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.464077
Hydrogen bond donor count : 0 Electric dipole moment : 1.681
XLogP : 8.609 VDW volume : 364.147229
Molecular weight : 308.27153 HOMO-LUMO gap : 10.579000
Herb list :
Refrences & Litretures:
  
377.      Journal:'Pharmaceutical Biology'      Year:'2011'      Volume:'49'      Page:'756'      DOI:'10.3109/13880209.2010.547206'      Title:'Chemical constituents and bioactivities of the liposoluble fraction from different medicinal parts of Crocus sativus'
519.      Journal:'International Journal of Technology Enhancements and Emerging Engineering Research'      Year:'2014'      Volume:'2'      Page:'120'      DOI:''      Title:'Chemical Composition And Antibacterial Activity Of The Essential Oil Isolated From Seinat (Cucumis Melo Var. Tibish) Seeds'
582.      Journal:'Food Chemistry'      Year:'2007'      Volume:'101'      Page:'1272'      DOI:'10.1016/j.foodchem.2005.12.029'      Title:'Flavour pro?le of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC–MS'
836.      Journal:'International Journal of ChemTech Research'      Year:'2010'      Volume:'2'      Page:'149'      DOI:''      Title:'Chemical Constituents of hydro alcoholic extract and Phenolic fraction of Cynodon dactylon'
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